2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C14H15ClN2O2 — CID 79439029

IUPAC2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C14H15ClN2O2/c1-14(2,3)13-16-11(18)10(12(19)17-13)8-6-4-5-7-9(8)15/h4-7H,1-3H3,(H2,16,17,18,19)
InChIKeyLZQBIGSFHDVUNI-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.09
Rot. Bonds1

About 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79439029) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79439029
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C14H15ClN2O2/c1-14(2,3)13-16-11(18)10(12(19)17-13)8-6-4-5-7-9(8)15/h4-7H,1-3H3,(H2,16,17,18,19)
InChIKeyLZQBIGSFHDVUNI-UHFFFAOYSA-N
XLogP3.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79439029) is 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CC(C)(C)c1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is LZQBIGSFHDVUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-14(2,3)13-16-11(18)10(12(19)17-13)8-6-4-5-7-9(8)15/h4-7H,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 278.74 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79439029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).